methyl 5-[(4-bromanylthiophen-2-yl)methylamino]-2,4-bis(fluoranyl)benzoate

Systemtic Name: methyl 5-[(4-bromanylthiophen-2-yl)methylamino]-2,4-bis(fluoranyl)benzoate Openeye Name: methyl 5-[(4-bromo-2-thienyl)methylamino]-2,4-difluoro-benzoate CAS Name: 5-[(4-bromo-2-thiophenyl)methylamino]-2,4-difluorobenzoic acid methyl ester IUPAC Name: methyl 5-[(4-bromothiophen-2-yl)methylamino]-2,4-difluorobenzoate Traditional Name: 5-[(4-bromo-2-thienyl)methylamino]-2,4-difluoro-benzoic acid methyl ester Formula: C13H10BrF2NO2S MolecularWeight: 362.189806

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1F)F)NCC2=CC(=CS2)Br

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1F)F)NCC2=CC(=CS2)Br

InChI

InChI=1S/C13H10BrF2NO2S/c1-19-13(18)9-3-12(11(16)4-10(9)15)17-5-8-2-7(14)6-20-8/h2-4,6,17H,5H2,1H3